N'-hydroxy-2-[1-[(2-propan-2-yloxyethylamino)methyl]cyclopropyl]ethanimidamide

C11H23N3O2 — CID 104762052

IUPACN'-hydroxy-2-[1-[(2-propan-2-yloxyethylamino)methyl]cyclopropyl]ethanimidamide
SMILESCC(C)OCCNCC1(CC(N)=NO)CC1
InChIInChI=1S/C11H23N3O2/c1-9(2)16-6-5-13-8-11(3-4-11)7-10(12)14-15/h9,13,15H,3-8H2,1-2H3,(H2,12,14)
InChIKeyYLRPWVSQRCVVIT-UHFFFAOYSA-N
MW229.32 g/mol
LogP0.92
Rot. Bonds8

About N'-hydroxy-2-[1-[(2-propan-2-yloxyethylamino)methyl]cyclopropyl]ethanimidamide

N'-hydroxy-2-[1-[(2-propan-2-yloxyethylamino)methyl]cyclopropyl]ethanimidamide (PubChem CID 104762052) has the molecular formula C11H23N3O2 and a molecular weight of 229.32 g/mol. Its IUPAC name is N'-hydroxy-2-[1-[(2-propan-2-yloxyethylamino)methyl]cyclopropyl]ethanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2-[1-[(2-propan-2-yloxyethylamino)methyl]cyclopropyl]ethanimidamide
PubChem CID104762052
Molecular FormulaC11H23N3O2
Molecular Weight229.32 g/mol
Exact Mass229.18
IUPAC NameN'-hydroxy-2-[1-[(2-propan-2-yloxyethylamino)methyl]cyclopropyl]ethanimidamide
SMILESCC(C)OCCNCC1(CC(N)=NO)CC1
InChIInChI=1S/C11H23N3O2/c1-9(2)16-6-5-13-8-11(3-4-11)7-10(12)14-15/h9,13,15H,3-8H2,1-2H3,(H2,12,14)
InChIKeyYLRPWVSQRCVVIT-UHFFFAOYSA-N
XLogP0.92
TPSA79.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.32
LogP ≤ 50.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-hydroxy-2-[1-[[2-(2,2,2-trifluoroethoxy)ethylamino]methyl]cyclopropyl]ethanimidamide
CID 77070558
2-[1-[[2-(2,2-difluoroethoxy)ethylamino]methyl]cyclopropyl]-N'-hydroxyethanimidamide
CID 114127896
N'-hydroxy-5-[2-(3-methylbutoxy)ethylamino]pentanimidamide
CID 77030871
4-(2-ethoxyethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062083
4-(2-cyclopentyloxyethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062104
4-(2-butoxyethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062147
N'-hydroxy-2,2-dimethyl-5-[2-(3-methylbutoxy)ethylamino]pentanimidamide
CID 77063374
N'-hydroxy-5-[2-(2-methoxyethoxy)ethylamino]-2,2-dimethylpentanimidamide
CID 77063527
N'-hydroxy-5-(2-methoxyethylamino)-2,2-dimethylpentanimidamide
CID 77063629
5-(1-ethoxypropan-2-ylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77063941
5-(2-butoxyethylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064060
5-(2-ethoxyethylamino)-N'-hydroxy-2,2-dimethylpentanimidamide
CID 77064078

Frequently Asked Questions

What is the IUPAC name of N'-hydroxy-2-[1-[(2-propan-2-yloxyethylamino)methyl]cyclopropyl]ethanimidamide?
The IUPAC name of N'-hydroxy-2-[1-[(2-propan-2-yloxyethylamino)methyl]cyclopropyl]ethanimidamide (CID 104762052) is N'-hydroxy-2-[1-[(2-propan-2-yloxyethylamino)methyl]cyclopropyl]ethanimidamide.
What is the SMILES notation for N'-hydroxy-2-[1-[(2-propan-2-yloxyethylamino)methyl]cyclopropyl]ethanimidamide?
The canonical SMILES for N'-hydroxy-2-[1-[(2-propan-2-yloxyethylamino)methyl]cyclopropyl]ethanimidamide is CC(C)OCCNCC1(CC(N)=NO)CC1.
What is the InChIKey of N'-hydroxy-2-[1-[(2-propan-2-yloxyethylamino)methyl]cyclopropyl]ethanimidamide?
The InChIKey is YLRPWVSQRCVVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3O2/c1-9(2)16-6-5-13-8-11(3-4-11)7-10(12)14-15/h9,13,15H,3-8H2,1-2H3,(H2,12,14).
What are the key properties of N'-hydroxy-2-[1-[(2-propan-2-yloxyethylamino)methyl]cyclopropyl]ethanimidamide?
N'-hydroxy-2-[1-[(2-propan-2-yloxyethylamino)methyl]cyclopropyl]ethanimidamide has a molecular weight of 229.32 g/mol, XLogP of 0.92, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2-[1-[(2-propan-2-yloxyethylamino)methyl]cyclopropyl]ethanimidamide is sourced from PubChem (CID 104762052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).